3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine

C17H22N4O — CID 167584734

IUPAC3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
SMILESCCc1nc(-c2cc3c(c(OC)c2)CN(C)CC3)cnc1N
InChIInChI=1S/C17H22N4O/c1-4-14-17(18)19-9-15(20-14)12-7-11-5-6-21(2)10-13(11)16(8-12)22-3/h7-9H,4-6,10H2,1-3H3,(H2,18,19)
InChIKeySDMRAGGODCAPFA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds3

About 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine

3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine (PubChem CID 167584734) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
PubChem CID167584734
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
SMILESCCc1nc(-c2cc3c(c(OC)c2)CN(C)CC3)cnc1N
InChIInChI=1S/C17H22N4O/c1-4-14-17(18)19-9-15(20-14)12-7-11-5-6-21(2)10-13(11)16(8-12)22-3/h7-9H,4-6,10H2,1-3H3,(H2,18,19)
InChIKeySDMRAGGODCAPFA-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine
CID 165154495
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
CID 167584981
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 165154523
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 163216435
4-[2-(2-butyl-8-methoxy-3,4-dihydro-1H-isoquinolin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 167647332
3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538538
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine
CID 169303865
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?
The IUPAC name of 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine (CID 167584734) is 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?
The canonical SMILES for 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine is CCc1nc(-c2cc3c(c(OC)c2)CN(C)CC3)cnc1N.
What is the InChIKey of 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?
The InChIKey is SDMRAGGODCAPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-14-17(18)19-9-15(20-14)12-7-11-5-6-21(2)10-13(11)16(8-12)22-3/h7-9H,4-6,10H2,1-3H3,(H2,18,19).
What are the key properties of 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine?
3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 167584734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).